#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1frs n SER 2 N 0.00 0.00 -0.00 0.00 2.88 -1.26 -5.08 113.62 110.16 1frs n SER 2 Ca 0.00 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1frs n SER 2 Cb 0.00 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1frs n SER 2 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1frs n ASN 3 N 0.00 4.86 -4.55 -3.46 3.02 -1.26 -4.91 115.26 108.95 1frs n ASN 3 Ca 0.00 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.26 1frs n ASN 3 Cb 0.00 0.55 -0.04 0.00 -0.61 0.00 0.00 39.78 39.67 1frs n ASN 3 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1frs s PHE 4 N -2.02 1.44 0.11 3.10 5.36 -1.26 -4.75 117.98 119.97 1frs s PHE 4 Ca -0.00 1.20 -0.23 0.00 -0.96 0.00 0.00 56.93 56.94 1frs s PHE 4 Cb 0.00 -3.81 0.06 0.00 -0.34 0.00 0.00 43.02 38.93 1frs s PHE 4 CO 0.02 -2.05 0.56 -1.21 -1.46 0.00 0.00 175.22 171.08 1frs s GLU 5 N 7.73 1.17 0.43 10.12 2.02 -1.26 -4.97 118.70 133.94 1frs s GLU 5 Ca 0.81 -0.38 -0.23 0.00 0.02 0.00 0.00 54.97 55.19 1frs s GLU 5 Cb -0.12 0.53 -0.12 0.00 0.10 0.00 0.00 34.13 34.53 1frs s GLU 5 CO 0.13 -0.47 0.68 -1.91 0.02 0.00 0.00 175.26 173.72 1frs n GLU 6 N -0.04 0.77 -3.85 1.61 2.13 -1.26 -4.78 120.64 115.22 1frs n GLU 6 Ca -0.17 0.28 -0.09 0.00 0.66 0.00 0.00 57.16 57.84 1frs n GLU 6 Cb 0.63 -1.67 0.01 0.00 0.27 0.00 0.00 31.44 30.68 1frs n GLU 6 CO 0.00 0.00 0.00 -0.59 -0.41 0.00 0.00 177.13 176.13 1frs s PHE 7 N -1.42 0.16 -0.28 4.31 -0.71 -0.53 -4.97 117.98 114.54 1frs s PHE 7 Ca 0.64 -0.75 -0.09 0.00 -1.04 0.00 0.00 56.93 55.69 1frs s PHE 7 Cb -0.58 0.71 -0.03 0.00 -1.21 0.00 0.00 43.02 41.91 1frs s PHE 7 CO 0.57 -1.45 0.14 0.08 -1.34 0.00 0.00 175.22 173.22 1frs s VAL 8 N -2.73 4.71 -0.17 -2.49 1.01 -1.26 -0.73 120.40 118.74 1frs s VAL 8 Ca 0.16 -0.18 -0.23 0.00 0.00 0.00 0.00 61.98 61.74 1frs s VAL 8 Cb -0.05 -3.30 -0.20 0.00 0.00 0.00 0.00 36.38 32.84 1frs s VAL 8 CO 0.11 0.20 0.41 0.25 0.00 0.00 0.00 175.10 176.08 1frs h LEU 9 N 8.32 0.00 -8.11 3.92 5.85 -0.79 -3.43 115.31 121.07 1frs h LEU 9 Ca -0.35 -0.66 -0.67 0.00 0.84 0.00 0.00 57.88 57.04 1frs h LEU 9 Cb 1.17 0.00 -0.34 0.00 0.37 0.00 0.00 40.66 41.86 1frs h LEU 9 CO 0.59 1.20 -0.82 -0.69 -0.34 0.00 0.00 178.44 178.38 1frs s VAL 10 N -2.26 2.39 -1.01 1.05 1.01 -0.54 -4.96 120.40 116.09 1frs s VAL 10 Ca -0.23 -0.94 -0.17 0.00 0.00 0.00 0.00 61.98 60.65 1frs s VAL 10 Cb 0.02 -2.08 0.15 0.00 0.00 0.00 0.00 36.38 34.47 1frs s VAL 10 CO 0.58 0.43 1.19 -0.62 0.00 0.00 0.00 175.10 176.68 1frs s ASP 11 N 1.31 6.79 -1.38 3.32 2.15 -1.26 -0.40 116.67 127.20 1frs s ASP 11 Ca 0.03 -2.43 -0.07 0.00 0.43 0.00 0.00 52.55 50.52 1frs s ASP 11 Cb -0.14 -2.38 0.06 0.00 -0.30 0.00 0.00 42.92 40.16 1frs s ASP 11 CO -0.10 -0.90 2.55 0.59 -0.17 0.00 0.00 175.17 177.14 1frs n ASN 12 N 5.94 8.21 0.00 -0.34 3.02 -1.26 -4.88 115.26 125.95 1frs n ASN 12 Ca 0.27 -2.99 0.00 0.00 -0.03 0.00 0.00 54.58 51.82 1frs n ASN 12 Cb 0.47 -1.41 0.00 0.00 -0.61 0.00 0.00 39.78 38.23 1frs n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1frs n GLY 13 N 2.18 0.74 0.00 7.41 0.00 -1.26 -2.03 105.19 112.23 1frs n GLY 13 Ca 0.66 0.47 0.00 0.00 0.00 0.00 0.00 46.02 47.15 1frs n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1frs n GLY 14 N 0.00 0.07 2.71 -0.02 0.00 -1.26 -5.00 105.19 101.69 1frs n GLY 14 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1frs n GLY 14 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1frs s THR 15 N -0.03 0.16 -0.50 2.61 -1.32 -0.86 -4.65 115.64 111.05 1frs s THR 15 Ca 0.00 0.12 -0.02 0.00 -1.21 0.00 0.00 61.69 60.58 1frs s THR 15 Cb 0.00 -0.46 0.00 0.00 -1.51 0.00 0.00 72.50 70.53 1frs s THR 15 CO 0.00 0.11 0.43 0.61 -2.21 0.00 0.00 174.62 173.56 1frs n GLY 16 N 5.21 0.28 3.85 6.08 0.00 -1.26 -4.73 105.19 114.62 1frs n GLY 16 Ca -0.06 -0.29 -0.32 0.00 0.00 0.00 0.00 46.02 45.35 1frs n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1frs s ASP 17 N -3.28 6.52 -0.14 1.61 1.11 -1.26 -4.28 116.67 116.95 1frs s ASP 17 Ca 0.14 1.49 0.01 0.00 0.18 0.00 0.00 52.55 54.37 1frs s ASP 17 Cb -0.06 -2.48 0.02 0.00 1.07 0.00 0.00 42.92 41.47 1frs s ASP 17 CO 0.28 -0.64 -0.15 0.68 1.18 0.00 0.00 175.17 176.52 1frs s VAL 18 N -2.73 1.63 0.12 -1.27 -7.23 0.46 -4.96 120.40 106.41 1frs s VAL 18 Ca 0.57 -0.68 0.02 0.00 -1.81 0.00 0.00 61.98 60.07 1frs s VAL 18 Cb -0.10 -1.51 -0.04 0.00 0.56 0.00 0.00 36.38 35.29 1frs s VAL 18 CO 0.37 0.47 0.25 -0.54 -0.31 0.00 0.00 175.10 175.33 1frs s LYS 19 N 1.32 3.41 -0.04 4.82 1.02 -1.26 -0.03 119.74 128.99 1frs s LYS 19 Ca 0.02 -0.55 0.02 0.00 0.02 0.00 0.00 55.97 55.48 1frs s LYS 19 Cb -0.13 -2.98 0.01 0.00 -0.52 0.00 0.00 37.83 34.21 1frs s LYS 19 CO -0.08 0.55 -0.09 0.08 -0.92 0.00 0.00 175.35 174.89 1frs s VAL 20 N -1.65 0.80 0.22 3.17 1.01 0.09 -4.47 120.40 119.58 1frs s VAL 20 Ca 0.34 -0.33 0.11 0.00 0.00 0.00 0.00 61.98 62.10 1frs s VAL 20 Cb -0.12 -0.74 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 1frs s VAL 20 CO 0.28 0.26 -0.15 0.00 0.00 0.00 0.00 175.10 175.50 1frs s ALA 21 N 0.45 2.81 0.05 5.51 0.00 0.85 -1.46 121.76 129.98 1frs s ALA 21 Ca -0.08 -1.65 -0.37 0.00 0.00 0.00 0.00 51.96 49.86 1frs s ALA 21 Cb -0.11 -0.50 -0.17 0.00 0.00 0.00 0.00 23.12 22.33 1frs s ALA 21 CO 0.01 0.38 1.35 -0.35 0.00 0.00 0.00 175.76 177.14 1frs n PRO 22 N -0.22 1.04 0.00 0.00 -0.04 -1.26 -0.14 135.00 134.38 1frs n PRO 22 Ca -0.09 0.38 0.00 0.00 -0.04 0.00 0.00 63.50 63.75 1frs n PRO 22 Cb 0.57 -2.01 0.00 0.00 -0.04 0.00 0.00 33.50 32.02 1frs n PRO 22 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1frs n SER 23 N 2.64 1.66 -3.64 3.54 3.41 -0.20 -4.85 113.62 116.18 1frs n SER 23 Ca 0.19 -0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.74 1frs n SER 23 Cb 0.18 0.34 -0.07 0.00 -0.26 0.00 0.00 64.21 64.40 1frs n SER 23 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1frs s ASN 24 N -0.67 -0.25 -0.06 4.04 3.84 -1.20 -4.97 114.94 115.67 1frs s ASN 24 Ca 0.00 0.44 0.16 0.00 0.21 0.00 0.00 52.86 53.68 1frs s ASN 24 Cb 0.00 0.44 0.32 0.00 -0.55 0.00 0.00 41.25 41.46 1frs s ASN 24 CO 0.00 -0.11 1.14 0.33 -2.79 0.00 0.00 177.10 175.67 1frs n PHE 25 N 1.67 0.00 -2.12 0.43 7.35 -1.24 -0.58 117.46 122.97 1frs n PHE 25 Ca -0.10 -0.65 -0.42 0.00 -0.76 0.00 0.00 57.45 55.52 1frs n PHE 25 Cb 0.57 -0.15 -0.03 0.00 0.35 0.00 0.00 39.48 40.22 1frs n PHE 25 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1frs s ALA 26 N -0.98 3.63 -0.94 3.13 0.00 -1.22 -2.26 121.76 123.13 1frs s ALA 26 Ca 0.27 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.39 1frs s ALA 26 Cb 0.29 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.85 1frs s ALA 26 CO -0.09 -0.67 0.00 0.09 0.00 0.00 0.00 175.76 175.09 1frs n ASN 27 N 4.05 -3.70 -1.12 0.00 3.02 -1.26 -1.99 115.26 114.26 1frs n ASN 27 Ca 0.12 0.10 -0.14 0.00 -0.03 0.00 0.00 54.58 54.63 1frs n ASN 27 Cb 0.42 -2.59 -0.06 0.00 -0.61 0.00 0.00 39.78 36.94 1frs n ASN 27 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1frs n GLY 28 N -1.33 1.40 3.48 7.41 0.00 -0.96 -4.93 105.19 110.27 1frs n GLY 28 Ca -0.11 -0.35 -0.35 0.00 0.00 0.00 0.00 46.02 45.21 1frs n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1frs s VAL 29 N -2.54 4.26 -0.13 1.61 1.01 -0.84 -4.78 120.40 118.99 1frs s VAL 29 Ca 0.00 -0.20 -0.26 0.00 0.00 0.00 0.00 61.98 61.51 1frs s VAL 29 Cb 0.00 -2.95 -0.02 0.00 0.00 0.00 0.00 36.38 33.41 1frs s VAL 29 CO 0.00 0.39 0.87 0.00 0.00 0.00 0.00 175.10 176.37 1frs s ALA 30 N 1.15 3.45 -0.11 5.51 0.00 -1.03 -3.41 121.76 127.33 1frs s ALA 30 Ca 0.04 0.17 0.03 0.00 0.00 0.00 0.00 51.96 52.20 1frs s ALA 30 Cb -0.14 -3.26 -0.00 0.00 0.00 0.00 0.00 23.12 19.71 1frs s ALA 30 CO 0.03 -0.55 -0.22 -2.00 0.00 0.00 0.00 175.76 173.01 1frs s GLU 31 N 1.90 3.10 0.05 0.00 2.12 0.25 -1.74 118.70 124.37 1frs s GLU 31 Ca 0.42 -0.85 0.09 0.00 0.36 0.00 0.00 54.97 54.98 1frs s GLU 31 Cb -0.17 -2.35 -0.03 0.00 0.26 0.00 0.00 34.13 31.83 1frs s GLU 31 CO 0.15 0.18 -0.24 -1.58 -0.54 0.00 0.00 175.26 173.23 1frs s TRP 32 N 0.36 2.14 0.05 5.30 0.51 0.45 -1.03 118.94 126.71 1frs s TRP 32 Ca -0.17 -0.40 -0.03 0.00 -2.12 0.00 0.00 56.10 53.37 1frs s TRP 32 Cb -0.18 -1.28 -0.02 0.00 -0.81 0.00 0.00 33.47 31.18 1frs s TRP 32 CO 0.08 0.12 0.04 -1.50 -0.51 0.00 0.00 176.95 175.18 1frs s ILE 33 N -0.80 0.16 0.00 2.03 2.07 0.80 -0.40 121.20 125.05 1frs s ILE 33 Ca 0.10 -1.34 0.00 0.00 -1.41 0.00 0.00 60.65 58.00 1frs s ILE 33 Cb -0.10 -1.08 0.00 0.00 0.13 0.00 0.00 42.46 41.41 1frs s ILE 33 CO 0.02 -0.74 0.00 -1.54 -1.91 0.00 0.00 174.94 170.77 1frs n SER 34 N 0.55 0.00 -4.19 4.50 3.41 -0.33 -0.10 113.62 117.46 1frs n SER 34 Ca -0.17 -0.64 -0.40 0.00 -0.26 0.00 0.00 58.87 57.40 1frs n SER 34 Cb 0.59 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.49 1frs n SER 34 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1frs s SER 35 N -1.00 6.21 0.30 4.04 0.15 -1.26 -4.83 113.70 117.30 1frs s SER 35 Ca 0.00 -3.31 -0.02 0.00 0.70 0.00 0.00 55.95 53.32 1frs s SER 35 Cb 0.00 -2.01 0.01 0.00 -1.71 0.00 0.00 66.02 62.31 1frs s SER 35 CO 0.00 -0.32 0.42 0.59 1.20 0.00 0.00 173.24 175.13 1frs n ASN 36 N 2.96 -1.16 -4.79 5.45 3.02 -1.26 -5.05 115.26 114.43 1frs n ASN 36 Ca 0.17 -2.61 -0.34 0.00 -0.03 0.00 0.00 54.58 51.77 1frs n ASN 36 Cb 0.39 2.16 -0.03 0.00 -0.61 0.00 0.00 39.78 41.70 1frs n ASN 36 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1frs s SER 37 N -2.85 6.22 0.58 6.41 1.04 -1.26 -4.78 113.70 119.05 1frs s SER 37 Ca 0.25 1.97 0.37 0.00 0.48 0.00 0.00 55.95 59.02 1frs s SER 37 Cb -0.01 -2.56 1.79 0.00 0.10 0.00 0.00 66.02 65.34 1frs s SER 37 CO 0.18 -0.87 2.12 -0.09 0.98 0.00 0.00 173.24 175.56 1frs h ARG 38 N 1.46 0.00 -0.46 4.02 2.43 -1.99 1.04 114.38 120.87 1frs h ARG 38 Ca -0.50 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 58.68 1frs h ARG 38 Cb 1.23 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.75 1frs h ARG 38 CO 0.59 0.00 0.30 0.77 -1.51 0.00 0.00 179.97 180.12 1frs h SER 39 N 0.00 0.51 -0.10 -3.80 0.02 -1.95 -3.17 113.55 105.06 1frs h SER 39 Ca 0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1frs h SER 39 Cb 0.27 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.69 1frs h SER 39 CO 0.00 0.37 0.00 0.00 -1.14 0.00 0.00 176.83 176.06 1frs n GLN 40 N -4.78 2.32 -1.66 3.45 6.02 0.34 -4.97 117.38 118.10 1frs n GLN 40 Ca 0.02 -1.93 -0.32 0.00 -0.01 0.00 0.00 57.00 54.77 1frs n GLN 40 Cb 0.03 -1.47 0.05 0.00 1.02 0.00 0.00 30.24 29.87 1frs n GLN 40 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1frs s ALA 41 N -1.91 2.63 0.17 -1.58 0.00 0.09 -4.59 121.76 116.57 1frs s ALA 41 Ca 0.31 0.21 -0.12 0.00 0.00 0.00 0.00 51.96 52.36 1frs s ALA 41 Cb 0.21 -3.21 -0.07 0.00 0.00 0.00 0.00 23.12 20.05 1frs s ALA 41 CO 0.31 -1.19 0.52 0.71 0.00 0.00 0.00 175.76 176.10 1frs s TYR 42 N -2.85 3.53 -0.07 0.00 1.51 -1.26 -4.26 117.35 113.96 1frs s TYR 42 Ca 0.60 0.94 -0.11 0.00 -1.01 0.00 0.00 57.07 57.49 1frs s TYR 42 Cb -0.15 -2.29 0.02 0.00 -0.11 0.00 0.00 41.96 39.43 1frs s TYR 42 CO 0.50 0.38 0.27 0.21 -1.11 0.00 0.00 175.55 175.80 1frs s LYS 43 N -2.30 0.45 0.02 -0.62 2.20 -0.89 -1.18 119.74 117.41 1frs s LYS 43 Ca 0.41 0.13 0.03 0.00 -0.36 0.00 0.00 55.97 56.18 1frs s LYS 43 Cb -0.13 0.20 -0.02 0.00 -1.51 0.00 0.00 37.83 36.38 1frs s LYS 43 CO 0.20 -0.09 -0.10 0.08 -0.36 0.00 0.00 175.35 175.08 1frs s VAL 44 N -0.46 0.78 0.05 4.02 1.01 0.46 -0.93 120.40 125.34 1frs s VAL 44 Ca -0.06 -0.77 -0.03 0.00 0.00 0.00 0.00 61.98 61.12 1frs s VAL 44 Cb -0.04 -0.73 -0.03 0.00 0.00 0.00 0.00 36.38 35.59 1frs s VAL 44 CO 0.02 -0.03 0.02 0.42 0.00 0.00 0.00 175.10 175.53 1frs s THR 45 N -0.73 0.19 -0.26 3.92 -4.23 -0.16 -0.41 115.64 113.95 1frs s THR 45 Ca -0.01 -1.59 -0.24 0.00 -1.18 0.00 0.00 61.69 58.67 1frs s THR 45 Cb -0.07 -1.37 0.07 0.00 1.34 0.00 0.00 72.50 72.47 1frs s THR 45 CO 0.00 -0.88 0.70 0.00 -0.54 0.00 0.00 174.62 173.91 1frs s SER 47 N 0.40 -0.37 0.05 0.00 1.04 -0.45 -2.46 113.70 111.92 1frs s SER 47 Ca -0.00 0.53 0.07 0.00 0.48 0.00 0.00 55.95 57.03 1frs s SER 47 Cb -0.05 0.61 -0.03 0.00 0.10 0.00 0.00 66.02 66.65 1frs s SER 47 CO 0.00 -0.33 -0.18 -0.69 0.98 0.00 0.00 173.24 173.03 1frs s VAL 48 N -0.58 2.81 0.11 5.02 1.01 -1.25 -0.30 120.40 127.22 1frs s VAL 48 Ca -0.07 -1.22 -0.15 0.00 0.00 0.00 0.00 61.98 60.54 1frs s VAL 48 Cb -0.04 -2.19 0.03 0.00 0.00 0.00 0.00 36.38 34.18 1frs s VAL 48 CO 0.03 0.31 0.38 0.00 0.00 0.00 0.00 175.10 175.82 1frs s ARG 49 N -1.52 1.02 0.07 2.72 1.70 -0.68 -4.99 118.95 117.28 1frs s ARG 49 Ca 0.15 -0.70 -0.21 0.00 -0.47 0.00 0.00 55.73 54.50 1frs s ARG 49 Cb -0.10 0.45 -0.06 0.00 -0.57 0.00 0.00 34.95 34.66 1frs s ARG 49 CO 0.06 -0.39 0.63 -1.14 -1.08 0.00 0.00 175.30 173.38 1frs s GLN 50 N -3.65 4.33 0.00 3.89 0.74 -1.26 -0.49 119.66 123.21 1frs s GLN 50 Ca 0.02 0.84 0.00 0.00 0.05 0.00 0.00 55.36 56.28 1frs s GLN 50 Cb 0.02 -3.28 0.00 0.00 1.10 0.00 0.00 33.01 30.85 1frs s GLN 50 CO -0.11 0.52 0.00 -1.13 -0.55 0.00 0.00 175.29 174.03 1frs n SER 51 N 2.06 0.00 -4.33 6.67 3.41 -0.90 -4.91 113.62 115.61 1frs n SER 51 Ca -0.08 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.24 1frs n SER 51 Cb 0.50 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.61 1frs n SER 51 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1frs s SER 52 N 0.21 3.49 0.00 4.04 0.01 -1.25 -4.88 113.70 115.31 1frs s SER 52 Ca 0.00 0.38 0.08 0.00 1.31 0.00 0.00 55.95 57.72 1frs s SER 52 Cb 0.00 -0.54 0.26 0.00 0.21 0.00 0.00 66.02 65.95 1frs s SER 52 CO 0.00 -2.51 1.21 0.00 0.41 0.00 0.00 173.24 172.35 1frs n ALA 53 N -3.63 2.47 0.13 1.44 0.00 -1.26 -3.12 120.51 116.54 1frs n ALA 53 Ca 0.13 -0.41 0.04 0.00 0.00 0.00 0.00 53.44 53.20 1frs n ALA 53 Cb 0.60 -1.00 0.06 0.00 0.00 0.00 0.00 19.45 19.11 1frs n ALA 53 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1frs n ASN 54 N 0.16 1.99 -4.12 0.00 3.02 -1.26 -4.93 115.26 110.12 1frs n ASN 54 Ca 0.08 -1.58 -0.09 0.00 -0.03 0.00 0.00 54.58 52.97 1frs n ASN 54 Cb 0.20 -0.06 -0.10 0.00 -0.61 0.00 0.00 39.78 39.21 1frs n ASN 54 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1frs s ASN 55 N -0.76 0.57 0.29 6.41 0.01 -1.18 -1.47 114.94 118.81 1frs s ASN 55 Ca 0.11 -1.06 0.06 0.00 -0.71 0.00 0.00 52.86 51.26 1frs s ASN 55 Cb 0.07 0.21 -0.06 0.00 0.41 0.00 0.00 41.25 41.87 1frs s ASN 55 CO 0.09 -0.61 -0.04 -0.13 -1.51 0.00 0.00 177.10 174.90 1frs s ARG 56 N -3.94 1.58 -0.03 -0.60 0.52 -0.37 -2.12 118.95 113.99 1frs s ARG 56 Ca 0.13 -1.82 -0.01 0.00 -0.52 0.00 0.00 55.73 53.52 1frs s ARG 56 Cb 0.07 -1.13 0.03 0.00 0.52 0.00 0.00 34.95 34.45 1frs s ARG 56 CO -0.06 -0.00 0.04 0.15 0.02 0.00 0.00 175.30 175.46 1frs s LYS 57 N -3.75 -0.04 -0.03 3.54 1.02 0.35 -0.61 119.74 120.22 1frs s LYS 57 Ca 0.31 0.25 -0.04 0.00 0.02 0.00 0.00 55.97 56.51 1frs s LYS 57 Cb 0.05 -0.31 -0.04 0.00 -0.52 0.00 0.00 37.83 37.01 1frs s LYS 57 CO 0.13 -0.21 0.17 0.71 -0.92 0.00 0.00 175.35 175.23 1frs s TYR 58 N 1.35 3.56 -0.10 3.18 2.02 0.14 -1.68 117.35 125.82 1frs s TYR 58 Ca -0.06 0.39 -0.02 0.00 -0.37 0.00 0.00 57.07 57.01 1frs s TYR 58 Cb -0.13 -1.85 0.04 0.00 -0.40 0.00 0.00 41.96 39.62 1frs s TYR 58 CO -0.03 0.66 0.04 0.99 -1.57 0.00 0.00 175.55 175.64 1frs s THR 59 N -1.27 0.18 -0.03 -0.71 2.01 0.59 -1.36 115.64 115.06 1frs s THR 59 Ca 0.25 0.06 0.03 0.00 0.31 0.00 0.00 61.69 62.34 1frs s THR 59 Cb -0.12 -0.50 -0.00 0.00 0.01 0.00 0.00 72.50 71.88 1frs s THR 59 CO 0.16 0.07 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.35 1frs s VAL 60 N 2.04 1.02 0.02 3.82 1.01 -0.59 -1.34 120.40 126.38 1frs s VAL 60 Ca 0.04 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.51 1frs s VAL 60 Cb -0.14 -0.88 -0.02 0.00 0.00 0.00 0.00 36.38 35.35 1frs s VAL 60 CO -0.06 0.30 -0.03 -0.54 0.00 0.00 0.00 175.10 174.77 1frs s LYS 61 N 0.00 0.32 -0.02 2.72 1.02 -0.82 -0.08 119.74 122.88 1frs s LYS 61 Ca -0.01 -0.61 0.01 0.00 0.02 0.00 0.00 55.97 55.39 1frs s LYS 61 Cb -0.08 0.09 0.01 0.00 -0.52 0.00 0.00 37.83 37.33 1frs s LYS 61 CO 0.01 -0.04 -0.04 0.08 -0.92 0.00 0.00 175.35 174.43 1frs s VAL 62 N -1.44 0.43 -0.06 3.17 1.01 -0.86 -0.99 120.40 121.65 1frs s VAL 62 Ca -0.16 -0.16 0.06 0.00 0.00 0.00 0.00 61.98 61.72 1frs s VAL 62 Cb -0.10 -0.41 -0.01 0.00 0.00 0.00 0.00 36.38 35.87 1frs s VAL 62 CO -0.01 0.15 -0.24 -1.61 0.00 0.00 0.00 175.10 173.40 1frs s GLU 63 N 0.32 2.51 -0.05 2.72 2.02 -0.10 -0.83 118.70 125.29 1frs s GLU 63 Ca -0.04 -0.86 0.03 0.00 0.02 0.00 0.00 54.97 54.12 1frs s GLU 63 Cb -0.07 -2.10 0.01 0.00 0.10 0.00 0.00 34.13 32.06 1frs s GLU 63 CO -0.00 0.34 -0.14 0.08 0.02 0.00 0.00 175.26 175.56 1frs s VAL 64 N -0.07 1.19 0.83 2.63 1.01 -1.03 -2.10 120.40 122.86 1frs s VAL 64 Ca -0.06 -0.55 -0.12 0.00 0.00 0.00 0.00 61.98 61.26 1frs s VAL 64 Cb -0.14 -1.06 0.09 0.00 0.00 0.00 0.00 36.38 35.27 1frs s VAL 64 CO 0.04 0.36 1.10 -2.16 0.00 0.00 0.00 175.10 174.44 1frs s PRO 65 N 0.37 1.84 -0.15 2.72 0.04 -1.26 -1.24 135.00 137.33 1frs s PRO 65 Ca -0.09 0.63 -0.15 0.00 0.04 0.00 0.00 61.00 61.43 1frs s PRO 65 Cb -0.13 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 1frs s PRO 65 CO 0.03 -1.79 0.35 0.21 0.04 0.00 0.00 177.00 175.84 1frs s LYS 66 N -5.13 4.29 -0.07 4.56 2.20 -0.75 -4.73 119.74 120.11 1frs s LYS 66 Ca 0.62 0.21 0.07 0.00 -0.36 0.00 0.00 55.97 56.51 1frs s LYS 66 Cb -0.15 -3.43 -0.10 0.00 -1.51 0.00 0.00 37.83 32.64 1frs s LYS 66 CO 0.55 0.21 0.05 0.28 -0.36 0.00 0.00 175.35 176.07 1frs n VAL 67 N 3.62 0.48 -1.71 4.02 0.31 -1.26 -4.78 118.33 119.00 1frs n VAL 67 Ca -0.10 -0.32 -0.57 0.00 -0.01 0.00 0.00 64.34 63.34 1frs n VAL 67 Cb 0.52 -0.66 -0.07 0.00 -0.91 0.00 0.00 33.84 32.71 1frs n VAL 67 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1frs n ALA 68 N -2.24 -0.14 -1.02 3.52 0.00 -1.26 -1.05 120.51 118.32 1frs n ALA 68 Ca -0.12 0.38 -0.01 0.00 0.00 0.00 0.00 53.44 53.70 1frs n ALA 68 Cb 0.70 -2.24 -0.00 0.00 0.00 0.00 0.00 19.45 17.91 1frs n ALA 68 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1frs n THR 69 N 4.64 0.00 -1.06 0.00 -2.24 -1.26 -4.95 114.28 109.41 1frs n THR 69 Ca 0.26 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.73 1frs n THR 69 Cb 0.13 -0.62 0.13 0.00 -2.10 0.00 0.00 70.33 67.87 1frs n THR 69 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1frs s GLN 70 N -1.26 1.67 -0.16 -0.78 0.74 -0.22 -5.00 119.66 114.65 1frs s GLN 70 Ca 0.00 1.50 -0.01 0.00 0.05 0.00 0.00 55.36 56.90 1frs s GLN 70 Cb 0.00 -1.81 0.04 0.00 1.10 0.00 0.00 33.01 32.35 1frs s GLN 70 CO 0.00 -2.14 -0.05 0.08 -0.55 0.00 0.00 175.29 172.64 1frs s VAL 71 N -2.55 1.07 0.18 1.34 1.01 -1.26 -5.07 120.40 115.13 1frs s VAL 71 Ca 0.67 -0.60 -0.32 0.00 0.00 0.00 0.00 61.98 61.74 1frs s VAL 71 Cb -0.23 -1.25 -0.11 0.00 0.00 0.00 0.00 36.38 34.80 1frs s VAL 71 CO 0.54 0.13 1.61 -1.58 0.00 0.00 0.00 175.10 175.80 1frs s GLN 72 N 1.65 4.19 0.00 2.72 0.74 -1.26 -1.65 119.66 126.04 1frs s GLN 72 Ca 0.01 2.44 0.00 0.00 0.05 0.00 0.00 55.36 57.86 1frs s GLN 72 Cb -0.15 -3.13 0.00 0.00 1.10 0.00 0.00 33.01 30.83 1frs s GLN 72 CO -0.08 -0.65 0.00 0.41 -0.55 0.00 0.00 175.29 174.43 1frs n GLY 73 N 3.76 3.31 3.73 2.59 0.00 -1.26 -5.01 105.19 112.31 1frs n GLY 73 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1frs n GLY 73 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1frs s GLY 74 N -2.43 1.61 -0.46 -0.02 0.00 -0.66 -4.96 107.32 100.40 1frs s GLY 74 Ca 0.00 -0.19 -0.18 0.00 0.00 0.00 0.00 44.72 44.35 1frs s GLY 74 CO 0.00 0.32 0.54 0.14 0.00 0.00 0.00 173.10 174.10 1frs s VAL 75 N -3.02 4.97 -0.50 1.40 1.01 -1.26 -4.97 120.40 118.04 1frs s VAL 75 Ca 0.63 -0.37 -0.01 0.00 0.00 0.00 0.00 61.98 62.23 1frs s VAL 75 Cb -0.17 -4.17 0.13 0.00 0.00 0.00 0.00 36.38 32.17 1frs s VAL 75 CO 0.56 -0.61 0.28 -1.61 0.00 0.00 0.00 175.10 173.73 1frs s GLU 76 N 2.40 2.16 -0.07 2.72 2.02 -1.26 -5.08 118.70 121.58 1frs s GLU 76 Ca 0.14 -2.20 -0.03 0.00 0.02 0.00 0.00 54.97 52.90 1frs s GLU 76 Cb -0.18 -3.57 -0.04 0.00 0.10 0.00 0.00 34.13 30.45 1frs s GLU 76 CO 0.13 -1.10 0.08 -0.51 0.02 0.00 0.00 175.26 173.88 1frs s LEU 77 N 0.47 3.98 -0.02 1.80 2.01 -1.26 -3.69 118.68 121.97 1frs s LEU 77 Ca 0.13 0.27 0.03 0.00 0.01 0.00 0.00 54.13 54.57 1frs s LEU 77 Cb -0.22 -2.07 -0.03 0.00 0.01 0.00 0.00 46.19 43.88 1frs s LEU 77 CO -0.04 0.35 -0.08 -2.84 1.01 0.00 0.00 176.35 174.75 1frs s PRO 78 N -1.22 2.55 0.30 1.29 0.02 -1.26 -5.01 135.00 131.67 1frs s PRO 78 Ca 0.17 -0.70 0.03 0.00 0.02 0.00 0.00 61.00 60.52 1frs s PRO 78 Cb -0.12 -2.48 0.75 0.00 0.02 0.00 0.00 34.50 32.66 1frs s PRO 78 CO 0.07 0.61 1.62 0.28 -0.33 0.00 0.00 177.00 179.25 1frs h VAL 79 N 3.94 0.22 0.00 3.83 2.07 -1.99 1.33 116.25 125.65 1frs h VAL 79 Ca -0.48 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 66.99 1frs h VAL 79 Cb 1.17 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1frs h VAL 79 CO 0.53 0.02 0.00 0.00 0.02 0.00 0.00 177.57 178.14 1frs h ALA 80 N 1.84 1.00 -0.13 1.67 0.00 -1.91 0.19 119.26 121.92 1frs h ALA 80 Ca 0.57 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 55.35 1frs h ALA 80 Cb 1.19 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1frs h ALA 80 CO -0.73 0.00 -0.49 0.00 0.00 0.00 0.00 179.25 178.03 1frs h ALA 81 N 2.12 0.92 -0.21 0.00 0.00 0.14 -3.35 119.26 118.87 1frs h ALA 81 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1frs h ALA 81 Cb 0.22 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1frs h ALA 81 CO 0.00 0.66 0.00 0.91 0.00 0.00 0.00 179.25 180.82 1frs n TRP 82 N -3.97 0.28 -3.79 0.00 7.02 0.66 -4.89 117.44 112.75 1frs n TRP 82 Ca -0.02 -0.14 -0.12 0.00 -1.02 0.00 0.00 57.50 56.20 1frs n TRP 82 Cb 0.55 0.00 -0.09 0.00 -2.42 0.00 0.00 31.31 29.35 1frs n TRP 82 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1frs s ARG 83 N -1.72 0.65 0.05 -0.99 1.81 -1.16 -1.81 118.95 115.79 1frs s ARG 83 Ca 0.19 -0.33 0.06 0.00 -1.72 0.00 0.00 55.73 53.93 1frs s ARG 83 Cb 0.10 0.28 -0.04 0.00 -0.45 0.00 0.00 34.95 34.85 1frs s ARG 83 CO 0.14 -0.18 -0.12 -1.12 -0.68 0.00 0.00 175.30 173.34 1frs s SER 84 N -1.53 4.25 -0.01 0.23 0.01 -0.37 -4.92 113.70 111.37 1frs s SER 84 Ca -0.12 -0.33 0.06 0.00 1.31 0.00 0.00 55.95 56.87 1frs s SER 84 Cb -0.05 -0.83 -0.02 0.00 0.21 0.00 0.00 66.02 65.34 1frs s SER 84 CO 0.02 0.23 -0.19 -0.31 0.41 0.00 0.00 173.24 173.40 1frs s TYR 85 N -1.05 1.73 0.10 2.43 1.51 -1.26 -2.46 117.35 118.34 1frs s TYR 85 Ca 0.18 -0.33 0.10 0.00 -1.01 0.00 0.00 57.07 56.01 1frs s TYR 85 Cb -0.11 -1.11 -0.04 0.00 -0.11 0.00 0.00 41.96 40.60 1frs s TYR 85 CO 0.09 -0.02 -0.26 1.41 -1.11 0.00 0.00 175.55 175.66 1frs s MET 86 N -0.52 1.48 -0.13 -0.62 1.75 -0.01 -5.01 119.30 116.25 1frs s MET 86 Ca 0.07 -1.23 -0.07 0.00 -1.25 0.00 0.00 55.69 53.21 1frs s MET 86 Cb -0.08 -1.84 0.05 0.00 2.84 0.00 0.00 34.83 35.81 1frs s MET 86 CO -0.01 0.45 0.31 1.21 -0.65 0.00 0.00 175.02 176.33 1frs s ASN 87 N -1.75 -0.35 -0.03 1.11 3.84 -1.26 -2.03 114.94 114.47 1frs s ASN 87 Ca 0.12 0.66 -0.02 0.00 0.21 0.00 0.00 52.86 53.83 1frs s ASN 87 Cb -0.10 0.55 0.01 0.00 -0.55 0.00 0.00 41.25 41.16 1frs s ASN 87 CO 0.04 -0.17 0.07 -0.32 -2.79 0.00 0.00 177.10 173.93 1frs s MET 88 N 1.24 0.06 -0.06 0.43 1.75 0.89 -5.00 119.30 118.61 1frs s MET 88 Ca -0.09 0.14 0.04 0.00 -1.25 0.00 0.00 55.69 54.53 1frs s MET 88 Cb -0.09 -0.02 0.00 0.00 2.84 0.00 0.00 34.83 37.56 1frs s MET 88 CO -0.09 -0.05 -0.18 -1.21 -0.65 0.00 0.00 175.02 172.84 1frs s GLU 89 N 0.30 2.14 -0.11 4.11 2.02 -1.26 -1.54 118.70 124.36 1frs s GLU 89 Ca -0.02 -0.65 0.00 0.00 0.02 0.00 0.00 54.97 54.32 1frs s GLU 89 Cb -0.03 -1.75 0.02 0.00 0.10 0.00 0.00 34.13 32.47 1frs s GLU 89 CO -0.01 0.19 -0.09 -1.17 0.02 0.00 0.00 175.26 174.20 1frs s LEU 90 N 0.25 1.31 -0.28 1.80 2.96 -0.46 -4.97 118.68 119.29 1frs s LEU 90 Ca -0.10 -0.32 -0.08 0.00 -0.22 0.00 0.00 54.13 53.40 1frs s LEU 90 Cb -0.14 -0.87 -0.02 0.00 0.50 0.00 0.00 46.19 45.66 1frs s LEU 90 CO 0.04 -0.09 0.10 -0.89 -1.32 0.00 0.00 176.35 174.20 1frs s THR 91 N 1.53 4.39 -0.12 3.68 2.01 -1.26 -0.68 115.64 125.19 1frs s THR 91 Ca 0.02 -0.33 -0.01 0.00 0.31 0.00 0.00 61.69 61.68 1frs s THR 91 Cb -0.13 -3.15 0.03 0.00 0.01 0.00 0.00 72.50 69.26 1frs s THR 91 CO -0.07 0.20 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.40 1frs s ILE 92 N 1.60 0.73 0.47 1.82 1.01 0.22 -4.90 121.20 122.15 1frs s ILE 92 Ca 0.05 -0.23 -0.20 0.00 0.00 0.00 0.00 60.65 60.27 1frs s ILE 92 Cb -0.16 -0.89 -0.13 0.00 0.01 0.00 0.00 42.46 41.29 1frs s ILE 92 CO 0.05 0.21 0.32 -2.65 0.00 0.00 0.00 174.94 172.87 1frs n PRO 93 N 5.02 0.33 0.21 2.79 -0.02 -1.26 -1.24 135.00 140.84 1frs n PRO 93 Ca -0.10 0.13 0.07 0.00 -2.02 0.00 0.00 63.50 61.58 1frs n PRO 93 Cb 0.49 -1.36 0.48 0.00 -0.02 0.00 0.00 33.50 33.09 1frs n PRO 93 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1frs h VAL 94 N 0.42 0.89 0.00 -1.45 2.07 -1.59 -2.24 116.25 114.34 1frs h VAL 94 Ca -0.41 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 66.02 1frs h VAL 94 Cb 1.42 1.65 0.00 0.00 -1.52 0.00 0.00 31.29 32.83 1frs h VAL 94 CO 0.48 0.28 0.00 0.49 0.02 0.00 0.00 177.57 178.83 1frs n PHE 95 N -3.76 0.78 -1.98 1.57 3.72 -1.26 -4.81 117.46 111.72 1frs n PHE 95 Ca -0.01 0.25 -0.42 0.00 -0.05 0.00 0.00 57.45 57.22 1frs n PHE 95 Cb 0.38 -0.91 -0.03 0.00 -0.94 0.00 0.00 39.48 37.98 1frs n PHE 95 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1frs s ALA 96 N -3.15 3.68 0.89 4.37 0.00 -0.85 -4.95 121.76 121.75 1frs s ALA 96 Ca 0.09 1.18 -0.12 0.00 0.00 0.00 0.00 51.96 53.11 1frs s ALA 96 Cb 0.12 -3.67 0.13 0.00 0.00 0.00 0.00 23.12 19.70 1frs s ALA 96 CO 0.52 -1.02 1.11 0.95 0.00 0.00 0.00 175.76 177.31 1frs s THR 97 N 2.38 2.48 0.37 0.00 -4.23 -1.26 -4.91 115.64 110.47 1frs s THR 97 Ca 0.72 0.15 0.08 0.00 -1.18 0.00 0.00 61.69 61.46 1frs s THR 97 Cb -0.39 -2.79 0.31 0.00 1.34 0.00 0.00 72.50 70.96 1frs s THR 97 CO 0.31 -0.20 1.94 0.78 -0.54 0.00 0.00 174.62 176.91 1frs h ASN 98 N -1.47 0.60 -0.40 3.99 4.21 -2.00 0.14 115.58 120.66 1frs h ASN 98 Ca -0.50 0.01 -0.09 0.00 1.21 0.00 0.00 56.30 56.93 1frs h ASN 98 Cb 1.30 -0.12 -0.01 0.00 -1.12 0.00 0.00 38.32 38.37 1frs h ASN 98 CO 0.59 0.37 -0.09 0.44 -1.29 0.00 0.00 177.43 177.44 1frs h ASP 99 N 0.68 0.78 -0.87 5.81 3.32 -2.00 -1.00 116.42 123.13 1frs h ASP 99 Ca 0.33 -0.36 0.08 0.00 0.02 0.00 0.00 57.03 57.10 1frs h ASP 99 Cb 0.41 -0.21 -0.06 0.00 0.22 0.00 0.00 39.33 39.69 1frs h ASP 99 CO -0.12 0.96 0.56 0.44 -1.72 0.00 0.00 179.24 179.36 1frs h ASP 100 N 0.58 0.82 -0.38 6.45 3.32 -1.13 0.69 116.42 126.77 1frs h ASP 100 Ca 0.10 0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.05 1frs h ASP 100 Cb 0.62 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 1frs h ASP 100 CO 0.04 0.51 -0.17 0.00 -1.72 0.00 0.00 179.24 177.90 1frs h ALA 102 N 1.04 0.67 -0.39 0.00 0.00 0.16 0.80 119.26 121.54 1frs h ALA 102 Ca 0.11 0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.19 1frs h ALA 102 Cb 0.70 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.57 1frs h ALA 102 CO 0.05 -0.28 0.07 1.25 0.00 0.00 0.00 179.25 180.34 1frs h LEU 103 N 0.28 -0.01 -0.56 0.00 5.85 -0.29 0.55 115.31 121.13 1frs h LEU 103 Ca 0.29 0.07 0.08 0.00 0.84 0.00 0.00 57.88 59.15 1frs h LEU 103 Cb 0.40 0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.46 1frs h LEU 103 CO -0.35 0.03 0.23 0.40 -0.34 0.00 0.00 178.44 178.41 1frs h ILE 104 N 0.19 0.83 -0.10 4.05 2.04 -0.24 0.11 117.51 124.39 1frs h ILE 104 Ca 0.19 -0.15 0.01 0.00 1.00 0.00 0.00 64.86 65.91 1frs h ILE 104 Cb 0.23 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 1frs h ILE 104 CO -0.25 0.08 0.03 0.58 0.00 0.00 0.00 178.15 178.58 1frs h VAL 105 N 0.42 0.97 -0.71 1.67 2.07 0.10 0.11 116.25 120.89 1frs h VAL 105 Ca 0.27 -0.03 0.05 0.00 0.82 0.00 0.00 66.70 67.82 1frs h VAL 105 Cb 0.29 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 1frs h VAL 105 CO -0.26 0.01 0.47 0.11 0.02 0.00 0.00 177.57 177.93 1frs h LYS 106 N 0.07 0.77 -0.75 1.57 1.57 0.55 0.65 116.57 121.00 1frs h LYS 106 Ca 0.04 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1frs h LYS 106 Cb 0.03 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.13 1frs h LYS 106 CO -0.05 0.51 0.34 0.00 -0.57 0.00 0.00 179.45 179.68 1frs h ALA 107 N 1.60 1.18 -0.19 3.86 0.00 0.16 0.44 119.26 126.31 1frs h ALA 107 Ca 0.30 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1frs h ALA 107 Cb 0.18 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1frs h ALA 107 CO -0.09 0.61 0.10 -0.07 0.00 0.00 0.00 179.25 179.80 1frs h LEU 108 N 1.07 0.24 -0.91 0.00 3.38 0.19 0.05 115.31 119.33 1frs h LEU 108 Ca 0.26 -0.10 0.12 0.00 0.09 0.00 0.00 57.88 58.25 1frs h LEU 108 Cb 0.15 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 40.75 1frs h LEU 108 CO -0.03 0.27 0.54 1.56 0.09 0.00 0.00 178.44 180.87 1frs h GLN 109 N 0.19 0.82 0.29 1.13 4.20 0.17 0.24 115.11 122.15 1frs h GLN 109 Ca 0.07 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 1frs h GLN 109 Cb 0.09 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 1frs h GLN 109 CO -0.01 0.54 -0.22 0.78 -0.67 0.00 0.00 178.83 179.26 1frs h GLY 110 N 0.85 -0.53 1.76 3.46 0.00 0.58 0.32 103.07 109.52 1frs h GLY 110 Ca 0.46 0.24 0.00 0.00 0.00 0.00 0.00 47.33 48.04 1frs h GLY 110 CO -0.28 -0.21 0.16 -0.91 0.00 0.00 0.00 176.54 175.29 1frs h THR 111 N -0.51 1.07 0.07 4.70 1.35 0.14 -2.92 112.91 116.80 1frs h THR 111 Ca -0.02 -0.13 -0.33 0.00 -0.55 0.00 0.00 66.41 65.38 1frs h THR 111 Cb 0.44 0.71 -0.03 0.00 -1.73 0.00 0.00 68.15 67.55 1frs h THR 111 CO -0.00 0.07 -1.82 -0.26 -0.25 0.00 0.00 175.52 173.25 1frs h PHE 112 N 0.33 0.25 -0.94 4.73 0.04 -0.90 -3.37 116.94 117.09 1frs h PHE 112 Ca 0.09 -0.18 -0.66 0.00 2.80 0.00 0.00 57.97 60.01 1frs h PHE 112 Cb -0.03 -0.01 0.09 0.00 2.20 0.00 0.00 35.95 38.20 1frs h PHE 112 CO 0.00 1.38 -0.33 1.17 -0.60 0.00 0.00 178.31 179.93 1frs n LYS 113 N -3.27 0.00 -1.62 1.51 4.81 0.11 -4.42 118.16 115.28 1frs n LYS 113 Ca -0.23 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 56.79 1frs n LYS 113 Cb 1.05 -1.08 0.01 0.00 0.02 0.00 0.00 35.03 35.03 1frs n LYS 113 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1frs n THR 114 N 0.42 2.39 0.00 3.15 -1.04 -1.26 -1.19 114.28 116.76 1frs n THR 114 Ca 0.17 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.68 1frs n THR 114 Cb 0.19 -1.21 0.00 0.00 -1.82 0.00 0.00 70.33 67.49 1frs n THR 114 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1frs n GLY 115 N 1.12 2.79 3.87 3.41 0.00 -1.26 -5.01 105.19 110.12 1frs n GLY 115 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 1frs n GLY 115 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1frs s ASN 116 N -3.57 6.64 0.33 1.61 0.01 -0.33 -4.91 114.94 114.71 1frs s ASN 116 Ca 0.00 0.87 0.06 0.00 -0.71 0.00 0.00 52.86 53.08 1frs s ASN 116 Cb 0.00 -2.21 0.70 0.00 0.41 0.00 0.00 41.25 40.16 1frs s ASN 116 CO 0.00 0.01 1.86 1.55 -1.51 0.00 0.00 177.10 179.01 1frs h PRO 117 N 2.91 0.80 0.06 -0.60 0.13 -1.86 -1.20 132.00 132.23 1frs h PRO 117 Ca -0.47 -0.05 0.02 0.00 -0.87 0.00 0.00 66.00 64.63 1frs h PRO 117 Cb 1.18 -0.18 -0.03 0.00 0.13 0.00 0.00 31.00 32.09 1frs h PRO 117 CO 0.69 0.53 -0.20 0.82 -0.23 0.00 0.00 178.00 179.61 1frs h ILE 118 N 0.82 0.54 -0.85 -3.56 1.08 -1.93 -0.77 117.51 112.84 1frs h ILE 118 Ca 0.46 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 65.06 1frs h ILE 118 Cb 0.60 0.54 -0.06 0.00 -3.07 0.00 0.00 36.82 34.83 1frs h ILE 118 CO -0.23 0.00 0.55 0.00 -0.69 0.00 0.00 178.15 177.79 1frs h ALA 119 N 0.50 1.82 0.10 1.87 0.00 -1.40 0.20 119.26 122.35 1frs h ALA 119 Ca 0.04 0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.67 1frs h ALA 119 Cb 0.40 -0.14 0.03 0.00 0.00 0.00 0.00 17.79 18.08 1frs h ALA 119 CO -0.15 -0.03 -1.21 1.79 0.00 0.00 0.00 179.25 179.65 1frs h THR 120 N 0.69 1.30 -0.33 0.00 1.35 -0.69 -3.01 112.91 112.22 1frs h THR 120 Ca 0.41 -2.46 -0.17 0.00 -0.55 0.00 0.00 66.41 63.64 1frs h THR 120 Cb 0.63 2.65 -0.00 0.00 -1.73 0.00 0.00 68.15 69.70 1frs h THR 120 CO -0.18 0.75 -0.44 0.00 -0.25 0.00 0.00 175.52 175.41 1frs h ALA 121 N 0.35 0.50 -0.48 6.62 0.00 0.70 -1.55 119.26 125.39 1frs h ALA 121 Ca -0.17 -0.47 0.08 0.00 0.00 0.00 0.00 54.91 54.34 1frs h ALA 121 Cb 1.88 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 19.50 1frs h ALA 121 CO 0.23 0.64 0.11 0.82 0.00 0.00 0.00 179.25 181.05 1frs h ILE 122 N 0.68 0.76 0.00 0.00 2.04 -1.05 0.42 117.51 120.35 1frs h ILE 122 Ca 0.04 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.81 1frs h ILE 122 Cb 1.04 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 37.60 1frs h ILE 122 CO 0.10 0.05 0.00 0.00 0.00 0.00 0.00 178.15 178.30 1frs n ALA 123 N -2.49 1.98 -0.03 1.87 0.00 -1.09 -1.02 120.51 119.74 1frs n ALA 123 Ca 0.05 -0.04 0.09 0.00 0.00 0.00 0.00 53.44 53.54 1frs n ALA 123 Cb 0.22 -1.38 0.20 0.00 0.00 0.00 0.00 19.45 18.49 1frs n ALA 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1frs n ALA 124 N -1.60 2.32 -3.30 0.00 0.00 -0.29 -4.94 120.51 112.70 1frs n ALA 124 Ca 0.05 -1.08 -0.16 0.00 0.00 0.00 0.00 53.44 52.25 1frs n ALA 124 Cb 0.28 -0.65 0.08 0.00 0.00 0.00 0.00 19.45 19.16 1frs n ALA 124 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1frs n ASN 125 N 1.04 -3.95 -4.21 0.00 4.13 -0.19 -4.95 115.26 107.14 1frs n ASN 125 Ca 0.16 -0.64 -0.12 0.00 1.68 0.00 0.00 54.58 55.66 1frs n ASN 125 Cb 0.50 -5.02 -0.10 0.00 -1.54 0.00 0.00 39.78 33.61 1frs n ASN 125 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1frs s SER 126 N -3.92 0.58 0.27 6.41 0.01 0.13 -5.02 113.70 112.16 1frs s SER 126 Ca 0.19 -1.30 0.00 0.00 1.31 0.00 0.00 55.95 56.15 1frs s SER 126 Cb -0.02 0.27 0.00 0.00 0.21 0.00 0.00 66.02 66.47 1frs s SER 126 CO 0.71 -0.74 0.00 0.61 0.41 0.00 0.00 173.24 174.23 1frs n GLY 127 N -0.25 1.05 3.77 3.44 0.00 -1.26 -4.34 105.19 107.60 1frs n GLY 127 Ca -0.02 -1.99 -0.28 0.00 0.00 0.00 0.00 46.02 43.72 1frs n GLY 127 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1frs s ILE 128 N 0.50 4.45 0.00 -0.61 -1.09 -1.26 -4.79 121.20 118.39 1frs s ILE 128 Ca 0.00 -0.94 0.00 0.00 -2.23 0.00 0.00 60.65 57.48 1frs s ILE 128 Cb 0.00 -3.20 0.00 0.00 -1.58 0.00 0.00 42.46 37.68 1frs s ILE 128 CO 0.00 0.02 0.00 0.00 -1.23 0.00 0.00 174.94 173.73